SCHEMBL8031072

SCHEMBL8031072

N#CCCNc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KAT2B Q92831 2/20 0.40
GAA P10253 4/20 0.39
MAPK1 P28482 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 4/20 0.38
GART P22102 1/20 0.38
MAPT P10636 11/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
HTT P42858 3/20 0.37
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8043013 0.87 MAPK1 (0.41) POLBKAT2BGAAMAPK1RXFP1
SCHEMBL8200499 0.80 ALDH1A1 (0.55) POLBKAT2BGAALMNAALDH1A1
SCHEMBL8340870 0.78 GAA (0.62) POLBGAAMAPK1LMNAALDH1A1
SCHEMBL8041727 0.78 MAPT (0.49) POLBMAPK1LMNAALDH1A1MAPT
SCHEMBL4692876 0.76 KAT2B (0.49) POLBKAT2BGAAMAPK1LMNA
SCHEMBL8090673 0.75 SERPINE1 (0.55) POLBGAAMAPK1LMNAALDH1A1
SCHEMBL27499600 0.75 ALDH1A1 (0.41) POLBGAAMAPK1LMNAALDH1A1
SCHEMBL15577144 0.73 GAA (0.51) POLBKAT2BGAAMAPK1LMNA
SCHEMBL22636966 0.71 AR (0.42) MAPK1RXFP1LMNAALDH1A1MAPT
SCHEMBL8194643 0.71 MEN1 (0.42) MAPK1LMNAALDH1A1KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993461-A1 NEW QUINOXALINE DIONE DERIVATIVES, THE PRODUCTION THEREOF AND USE OF THE SAME IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-19 EP disclosed
WO-1999000384-A1 NEW QUINOXALINE DIONE DERIVATIVES, THE PRODUCTION THEREOF AND USE OF THE SAME IN MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-01-07 WO disclosed